SCHEMBL648790

SCHEMBL648790

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(OC(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
MEP1B Q16820 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 3/20 0.35
BACE1 P56817 2/20 0.35
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
BCHE P06276 4/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
TNK2 Q07912 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL648222 0.97 C5AR1 (0.43) C5AR1MEP1BALDH1A1HTTTSHR
SCHEMBL649156 0.96 C5AR1 (0.42) C5AR1MEP1BALDH1A1HTTTSHR
SCHEMBL650072 0.95 C5AR1 (0.41) C5AR1MEP1BALDH1A1HTTTSHR
SCHEMBL651956 0.95 C5AR1 (0.43) C5AR1ALDH1A1HTTTSHRBACE1
SCHEMBL651033 0.94 C5AR1 (0.44) C5AR1ALDH1A1HTTTSHRLMNA
SCHEMBL651407 0.94 C5AR1 (0.42) C5AR1
SCHEMBL649888 0.94 C5AR1 (0.40) C5AR1ALDH1A1HTTBACE1PPARG
SCHEMBL649822 0.93 C5AR1 (0.39) C5AR1MEP1BALDH1A1HTTTSHR
SCHEMBL651884 0.93 C5AR1 (0.41) C5AR1MEP1BALDH1A1HTTTSHR
SCHEMBL651691 0.92 C5AR1 (0.42) C5AR1MEP1BALDH1A1HTTTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed